Task 38682127

Name test_427-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3387_0
Workunit 31623758
Created 27 Oct 2026, 6:39:58 UTC
Sent 27 Oct 2026, 6:40:02 UTC
Report deadline 1 Nov 2026, 6:40:02 UTC
Received 27 Oct 2026, 7:43:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 22 sec
CPU time 28 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.89 MB
Peak swap size 6.91 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:14:27 (2164): wrapper (7.9.26016): starting
02:14:27 (2164): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
02:14:29 (2164): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:14:29 (2164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
02:43:12 (2164): C:/Windows/system32/cmd.exe exited; CPU time 1692.281250
02:43:12 (2164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 21586159 bytes.
Dumping objects ->
{3835234} normal block at 0x0000019F54CEDF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000019F530C4980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000019F530C4DE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000019F530C4BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000019F530C4B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000019F54D3BB80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000019F54D4ED60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x0000019F530BF150, 8 bytes long.
 Data: <  US&#159;   > 00 00 55 53 9F 01 00 00 
{3834542} normal block at 0x0000019F54D4E470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000019F530BEDE0, 8 bytes long.
 Data: <0Z&#220;T&#159;   > 30 5A DC 54 9F 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019F530C1440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019F530B5E60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000019F530C5390, 16 bytes long.
 Data: <&#216;e S&#159;           > D8 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019F530C61F0, 16 bytes long.
 Data: <&#176;e S&#159;           > B0 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019F530BFF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000019F530C61A0, 16 bytes long.
 Data: < e S&#159;           > 88 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019F530C5ED0, 16 bytes long.
 Data: <`e S&#159;           > 60 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019F530C5340, 16 bytes long.
 Data: <8e S&#159;           > 38 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019F530C5CA0, 16 bytes long.
 Data: < e S&#159;           > 10 65 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019F530C4C20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000019F530C5B10, 16 bytes long.
 Data: <&#216;&#181; S&#159;           > D8 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019F530BFCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000019F530C58E0, 16 bytes long.
 Data: <&#176;&#181; S&#159;           > B0 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019F530C55C0, 16 bytes long.
 Data: < &#181; S&#159;           > 88 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019F530C52F0, 16 bytes long.
 Data: <`&#181; S&#159;           > 60 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019F530C53E0, 16 bytes long.
 Data: <8&#181; S&#159;           > 38 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019F530C6010, 16 bytes long.
 Data: < &#181; S&#159;           > 10 B5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019F530C5F70, 16 bytes long.
 Data: <&#232;&#180; S&#159;           > E8 B4 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019F530BFF30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000019F530C5520, 16 bytes long.
 Data: <&#192;&#180; S&#159;           > C0 B4 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019F530AB4C0, 320 bytes long.
 Data: < U S&#159;   0&#255; S&#159;   > 20 55 0C 53 9F 01 00 00 30 FF 0B 53 9F 01 00 00 
{276} normal block at 0x0000019F530C54D0, 16 bytes long.
 Data: <&#240;d S&#159;           > F0 64 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019F530C5F20, 16 bytes long.
 Data: <&#200;d S&#159;           > C8 64 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019F530C0590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000019F530C5570, 16 bytes long.
 Data: <&#160;d S&#159;           > A0 64 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019F530C02F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000019F530C5E80, 16 bytes long.
 Data: <&#232;c S&#159;           > E8 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019F530C5430, 16 bytes long.
 Data: <&#192;c S&#159;           > C0 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019F530C6240, 16 bytes long.
 Data: < c S&#159;           > 98 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019F530C5480, 16 bytes long.
 Data: <pc S&#159;           > 70 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019F530C5890, 16 bytes long.
 Data: <Hc S&#159;           > 48 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019F530C5610, 16 bytes long.
 Data: < c S&#159;           > 20 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019F530C5A20, 16 bytes long.
 Data: <&#240;I S&#159;           > F0 49 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019F530C49F0, 40 bytes long.
 Data: < Z S&#159;    &#187;&#211;T&#159;   > 20 5A 0C 53 9F 01 00 00 80 BB D3 54 9F 01 00 00 
{262} normal block at 0x0000019F530C56B0, 16 bytes long.
 Data: < c S&#159;           > 00 63 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019F530C5CF0, 16 bytes long.
 Data: <&#216;b S&#159;           > D8 62 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019F530C0530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000019F530C5930, 16 bytes long.
 Data: <&#176;b S&#159;           > B0 62 0C 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019F530C62B0, 992 bytes long.
 Data: <0Y S&#159;   0  S&#159;   > 30 59 0C 53 9F 01 00 00 30 05 0C 53 9F 01 00 00 
{94} normal block at 0x0000019F530C0350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000019F530BF330, 16 bytes long.
 Data: <&#192;&#229; S&#159;           > C0 E5 0A 53 9F 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019F530AE5C0, 40 bytes long.
 Data: <0&#243; S&#159;   P  S&#159;   > 30 F3 0B 53 9F 01 00 00 50 03 0C 53 9F 01 00 00 
{71} normal block at 0x0000019F530BEFC0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019F530BF600, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019F530BF2E0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019F530BE7A0, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019F530BF100, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019F530BF380, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019F530BEF70, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019F530BF560, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019F530BE8E0, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019F530BF510, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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